| SpectraBase Spectrum ID |
F8VJvnBwwMl |
| Name |
Polyester on the basis of 1,4-dihydroxy-2,5-di(p-methoxybenzoyloxy)benzene, p-hydroxybenzoic acid and 1,9-nonamethylenediol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
804.314576974 u |
| Formula |
C47H48O12 |
| InChI |
InChI=1S/C47H48O12/c1-32-12-14-33(15-13-32)44(48)56-40-30-42(58-46(50)35-18-24-38(54-4)25-19-35)43(31-41(40)57-45(49)34-16-22-37(53-3)23-17-34)59-47(51)36-20-26-39(27-21-36)55-29-11-9-7-5-6-8-10-28-52-2/h12-27,30-31H,5-11,28-29H2,1-4H3 |
| InChIKey |
NZMSEMQXYJGKQA-UHFFFAOYSA-N |
| Molecular Weight |
804.889 g/mol |
| Nominal Mass |
804 u |
| SMILES |
C(CCCCCCCOC1=CC=C(C=C1)C(=O)OC1=CC(OC(=O)C=2C=CC(=CC2)OC)=C(C=C1OC(=O)C1=CC=C(C=C1)OC)OC(=O)C1=CC=C(C=C1)C)COC |
